UCSF

ZINC01777748

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 19 Yes

Popular Name: 1-(4-methylbenzyl)-1H-indole-2,3-dione 1-(4-methylbenzyl)-1H-indole-2,3…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 79183-26-9 , [79183-26-9]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.94 1.7 -12.18 0 3 0 39 251.285 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 144-146° Matrix Scientific
melting_point 148 - 149 KeyOrganics
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )